A2272/0095778
TL;DR: A2272/0095778 (CAS 40963-85-7) is a chemical compound with molecular formula C21H22BrNO3S and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate
Also Known As: A2272/0095778, ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate, ethyl 2-((benzylthio)methyl)-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate, ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylmethylthio)methyl]indole-3-carboxyl ate
| Molecular Formula | C21H22BrNO3S |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 5.5595 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.05038 |
| Heavy Atoms | 27 |
| Complexity | 953.21027 |
Chemical Identifiers
| CAS Number | 40963-85-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSCC3=CC=CC=C3 |
Product Overview
A2272/0095778 (CAS 40963-85-7), with molecular formula C21H22BrNO3S and molecular weight 447.05 g/mol. IUPAC: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate.
Chemical Property Profile of A2272/0095778
Property Insights of A2272/0095778
The XLogP value of 5.5595 indicates that A2272/0095778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, A2272/0095778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2272/0095778 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2272/0095778?
The CAS number of A2272/0095778 is 40963-85-7.
What is the molecular formula of A2272/0095778?
The molecular formula of A2272/0095778 is C21H22BrNO3S.
What is the molecular weight of A2272/0095778?
The molecular weight of A2272/0095778 is 447.05 g/mol.
Where can I buy A2272/0095778?
You can request a quote for A2272/0095778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2272/0095778?
Yes, KEHONG BIO provides custom synthesis services for A2272/0095778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.